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IEPDYN: Integral-equation formalism of population dynamics
Authors:
Kento Kasahara,
Ryo Okabe,
Chia-en A. Chang,
Toshifumi mori,
Nobuyuki Matubayasi
Abstract:
We propose the integral-equation formalism of population dynamics (IEPDYN) to describe the population dynamics of distinct configurational states. According to classical reaction dynamics theory, the probability density associated with a given state obeys the Liouville equation, including influx from and efflux to neighboring states. By introducing a Markov approximation for the crossing of bounda…
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We propose the integral-equation formalism of population dynamics (IEPDYN) to describe the population dynamics of distinct configurational states. According to classical reaction dynamics theory, the probability density associated with a given state obeys the Liouville equation, including influx from and efflux to neighboring states. By introducing a Markov approximation for the crossing of boundaries separating the states, tractable integral equations governing the state populations are derived. Once the time-dependent quantities appearing in these equations are evaluated, the population dynamics on long timescales can be obtained. Because these quantities depend only on a few states in the local neighborhood of a given state, they can be computed using a set of short-timescale molecular dynamics (MD) simulations. The IEPDYN method is formulated in continuous time and therefore does not rely on a coarse-grained timescale (lag time). Consequently, kinetic quantities obtained from IEPDYN are free from lag-time dependence, which has been discussed as a limitation in other approaches. We apply the IEPDYN method to the binding and unbinding kinetics of CH$_4$/CH$_4$, Na$^+$/Cl$^-$, and 18-crown-6-ether (crown ether)/K$^+$ in water. For both kinetics, the time constants estimated from the IEPDYN method are almost comparable to those obtained from brute-force MD simulations. The required timescale of each MD trajectory in the IEPDYN method is approximately two orders of magnitude shorter than that in the brute-force MD approach in the crown ether/K$^+$ system. This reduction in the trajectory timescale enables applications to complex binding and unbinding systems whose characteristic timescales are far beyond those directly accessible by brute-force MD simulations.
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Submitted 23 March, 2026; v1 submitted 14 January, 2026;
originally announced January 2026.
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The Phase-Coupled Caldeira-Leggett Model: Non-Markovian Open Quantum Dynamics beyond Linear Dissipation
Authors:
Ao-Xiang Chang,
Yu Su,
Zi-Fan Zhu,
Yao Wang,
Rui-Xue Xu,
YiJing Yan
Abstract:
We introduce the \textit{Phase-Coupled Caldeira-Leggett} (PCL) model of quantum dissipation and develop an exact framework for its dynamics. Unlike the conventional Caldeira-Leggett model with linear system-bath coupling $H_{\mathrm{SB}}\propto\hat F$, the PCL model features an exponential interaction $H_{\mathrm{SB}}\propto e^{iλ\hat F}$, where $\hat F$ denotes the collective bath coordinate. Thi…
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We introduce the \textit{Phase-Coupled Caldeira-Leggett} (PCL) model of quantum dissipation and develop an exact framework for its dynamics. Unlike the conventional Caldeira-Leggett model with linear system-bath coupling $H_{\mathrm{SB}}\propto\hat F$, the PCL model features an exponential interaction $H_{\mathrm{SB}}\propto e^{iλ\hat F}$, where $\hat F$ denotes the collective bath coordinate. This model unifies concepts from quantum Brownian motion and polaron physics, providing a general platform to study phase-mediated dissipation and decoherence beyond the linear-response regime. Despite its nonlinear system-bath coupling, the Gaussian nature of the environment allows a nonperturbative and non-Markovian treatment of PCL model within the algebra of dissipative quasiparticles. We obtain an exact closed-form equation of motion for the reduced density operator, and numerical simulations reveal distinctive dynamical behaviors that deviate markedly from those predicted by the conventional Caldeira-Leggett model.
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Submitted 28 October, 2025;
originally announced October 2025.
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Multi-Group Maximum Entropy Method: Modeling Translational Non-Equilibrium
Authors:
Anthony Chang,
Narendra Singh,
Marco Panesi
Abstract:
The most rigorous physical description of non-equilibrium gas dynamics is rooted in the numerical solution of the Boltzmann equation. Yet, the large number of degrees of freedom and the wide range of both spatial and temporal scales render these equations intractable for many relevant problems. This study constructs a reduced-order model for the Boltzmann equation, by combining coarse-graining mod…
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The most rigorous physical description of non-equilibrium gas dynamics is rooted in the numerical solution of the Boltzmann equation. Yet, the large number of degrees of freedom and the wide range of both spatial and temporal scales render these equations intractable for many relevant problems. This study constructs a reduced-order model for the Boltzmann equation, by combining coarse-graining modeling framework with the maximum entropy principle. This is accomplished by projecting the high-dimensional Boltzmann equation onto a carefully chosen lower-dimensional subspace, resulting from the discretization of the velocity space into sub-volumes. Within each sub-volume, the distribution function is reconstructed through the maximum entropy principle, ensuring compliance with the detailed balance. The resulting set of conservation equations comprises mass, momentum, and energy for each sub-volume, allowing for flexibility in the description of the velocity distribution function. This new set of governing equations, while retaining many of the mathematical characteristics of the conventional Navier-Stokes equations far outperforms them in terms of applicability. The proposed methodology is applied to the Bhatnagar, Gross, and Krook (BGK) formulation of the Boltzmann equation. To validate the model's accuracy, we simulate the non-equilibrium relaxation of a gas under spatially uniform conditions. Additionally, the model is used to analyze the shock structure of a 1-D standing shockwave across an extensive range of Mach numbers. Notably, both the non-equilibrium velocity distribution functions and macroscopic metrics derived from our model align remarkably with the direct solutions of the Boltzmann equation.
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Submitted 22 October, 2024;
originally announced October 2024.
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Textile hinges enable extreme properties of mechanical metamaterials
Authors:
A. S. Meeussen,
G. Bordiga,
A. X. Chang,
B. Spoettling,
K. P. Becker,
L. Mahadevan,
K. Bertoldi
Abstract:
Mechanical metamaterials -- structures with unusual properties that emerge from their internal architecture -- that are designed to undergo large deformations typically exploit large internal rotations, and therefore, necessitate the incorporation of flexible hinges. In the mechanism limit, these metamaterials consist of rigid bodies connected by ideal hinges that deform at zero energy cost. Howev…
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Mechanical metamaterials -- structures with unusual properties that emerge from their internal architecture -- that are designed to undergo large deformations typically exploit large internal rotations, and therefore, necessitate the incorporation of flexible hinges. In the mechanism limit, these metamaterials consist of rigid bodies connected by ideal hinges that deform at zero energy cost. However, fabrication of structures in this limit has remained elusive. Here, we demonstrate that the fabrication and integration of textile hinges provides a scalable platform for creating large structured metamaterials with mechanism-like behaviors. Further, leveraging recently introduced kinematic optimization tools, we demonstrate that textile hinges enable extreme shape-morphing responses, paving the way for the development of the next generation of mechanism-based metamaterials.
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Submitted 28 August, 2024;
originally announced August 2024.
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EventLFM: Event Camera integrated Fourier Light Field Microscopy for Ultrafast 3D imaging
Authors:
Ruipeng Guo,
Qianwan Yang,
Andrew S. Chang,
Guorong Hu,
Joseph Greene,
Christopher V. Gabel,
Sixian You,
Lei Tian
Abstract:
Ultrafast 3D imaging is indispensable for visualizing complex and dynamic biological processes. Conventional scanning-based techniques necessitate an inherent trade-off between acquisition speed and space-bandwidth product (SBP). Emerging single-shot 3D wide-field techniques offer a promising alternative but are bottlenecked by the synchronous readout constraints of conventional CMOS systems, thus…
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Ultrafast 3D imaging is indispensable for visualizing complex and dynamic biological processes. Conventional scanning-based techniques necessitate an inherent trade-off between acquisition speed and space-bandwidth product (SBP). Emerging single-shot 3D wide-field techniques offer a promising alternative but are bottlenecked by the synchronous readout constraints of conventional CMOS systems, thus restricting data throughput to maintain high SBP at limited frame rates. To address this, we introduce EventLFM, a straightforward and cost-effective system that overcomes these challenges by integrating an event camera with Fourier light field microscopy (LFM), a state-of-the-art single-shot 3D wide-field imaging technique. The event camera operates on a novel asynchronous readout architecture, thereby bypassing the frame rate limitations inherent to conventional CMOS systems. We further develop a simple and robust event-driven LFM reconstruction algorithm that can reliably reconstruct 3D dynamics from the unique spatiotemporal measurements captured by EventLFM. Experimental results demonstrate that EventLFM can robustly reconstruct fast-moving and rapidly blinking 3D fluorescent samples at kHz frame rates. Furthermore, we highlight EventLFM's capability for imaging of blinking neuronal signals in scattering mouse brain tissues and 3D tracking of GFP-labeled neurons in freely moving C. elegans. We believe that the combined ultrafast speed and large 3D SBP offered by EventLFM may open up new possibilities across many biomedical applications.
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Submitted 3 April, 2024; v1 submitted 1 October, 2023;
originally announced October 2023.
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Toward Foundation Models for Earth Monitoring: Proposal for a Climate Change Benchmark
Authors:
Alexandre Lacoste,
Evan David Sherwin,
Hannah Kerner,
Hamed Alemohammad,
Björn Lütjens,
Jeremy Irvin,
David Dao,
Alex Chang,
Mehmet Gunturkun,
Alexandre Drouin,
Pau Rodriguez,
David Vazquez
Abstract:
Recent progress in self-supervision shows that pre-training large neural networks on vast amounts of unsupervised data can lead to impressive increases in generalisation for downstream tasks. Such models, recently coined as foundation models, have been transformational to the field of natural language processing. While similar models have also been trained on large corpuses of images, they are not…
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Recent progress in self-supervision shows that pre-training large neural networks on vast amounts of unsupervised data can lead to impressive increases in generalisation for downstream tasks. Such models, recently coined as foundation models, have been transformational to the field of natural language processing. While similar models have also been trained on large corpuses of images, they are not well suited for remote sensing data. To stimulate the development of foundation models for Earth monitoring, we propose to develop a new benchmark comprised of a variety of downstream tasks related to climate change. We believe that this can lead to substantial improvements in many existing applications and facilitate the development of new applications. This proposal is also a call for collaboration with the aim of developing a better evaluation process to mitigate potential downsides of foundation models for Earth monitoring.
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Submitted 1 December, 2021;
originally announced December 2021.
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Interpretable Visualization and Higher-Order Dimension Reduction for ECoG Data
Authors:
Kelly Geyer,
Frederick Campbell,
Andersen Chang,
John Magnotti,
Michael Beauchamp,
Genevera I. Allen
Abstract:
ElectroCOrticoGraphy (ECoG) technology measures electrical activity in the human brain via electrodes placed directly on the cortical surface during neurosurgery. Through its capability to record activity at a fast temporal resolution, ECoG experiments have allowed scientists to better understand how the human brain processes speech. By its nature, ECoG data is difficult for neuroscientists to dir…
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ElectroCOrticoGraphy (ECoG) technology measures electrical activity in the human brain via electrodes placed directly on the cortical surface during neurosurgery. Through its capability to record activity at a fast temporal resolution, ECoG experiments have allowed scientists to better understand how the human brain processes speech. By its nature, ECoG data is difficult for neuroscientists to directly interpret for two major reasons. Firstly, ECoG data tends to be large in size, as each individual experiment yields data up to several gigabytes. Secondly, ECoG data has a complex, higher-order nature. After signal processing, this type of data may be organized as a 4-way tensor with dimensions representing trials, electrodes, frequency, and time. In this paper, we develop an interpretable dimension reduction approach called Regularized Higher Order Principal Components Analysis, as well as an extension to Regularized Higher Order Partial Least Squares, that allows neuroscientists to explore and visualize ECoG data. Our approach employs a sparse and functional Candecomp-Parafac (CP) decomposition that incorporates sparsity to select relevant electrodes and frequency bands, as well as smoothness over time and frequency, yielding directly interpretable factors. We demonstrate the performance and interpretability of our method with an ECoG case study on audio and visual processing of human speech.
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Submitted 12 December, 2020; v1 submitted 15 November, 2020;
originally announced November 2020.
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ABALONE Photosensors for the IceCube Experiment
Authors:
Daniel Ferenc,
Andrew Chang,
Cameron Saylor,
Sebastian Böser,
Alfredo Davide Ferella,
Lior Arazi,
John R. Smith,
Marija Šegedin Ferenc
Abstract:
The ABALONE Photosensor Technology (U.S. Pat. 9064678) is a modern, scalable technology specifically invented for cost effective mass production, robustness, and high performance. We present the performance of advanced fused silica ABALONE Photosensors, developed specifically for the potential extension of the Ice Cube neutrino experiment, and stress tested for 120 days. The resulting performance…
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The ABALONE Photosensor Technology (U.S. Pat. 9064678) is a modern, scalable technology specifically invented for cost effective mass production, robustness, and high performance. We present the performance of advanced fused silica ABALONE Photosensors, developed specifically for the potential extension of the Ice Cube neutrino experiment, and stress tested for 120 days. The resulting performance makes a significant difference: intrinsic gain in the high 100 million range, total afterpulsing rate of only 0.005 ions per photoelectron, subnanosecond timing resolution, single photon sensitivity, and unique radiopurity and UV sensitivity, thanks to the fused silica components, at no additional cost to the assembly process.
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Submitted 29 September, 2018;
originally announced October 2018.
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The Novel ABALONE Photosensor Technology: 4-Year Long Tests of Vacuum Integrity, Internal Pumping and Afterpulsing
Authors:
Daniel Ferenc,
Andrew Chang,
Marija Šegedin Ferenc
Abstract:
The ABALONE Photosensor Technology (U.S. Patent 9064678 2015) has the capability of supplanting the expensive 80 year old Photomultiplier Tube (PMT) manufacture by providing a modern and cost effective alternative product. An ABALONE Photosensor comprises only three monolithic glass components, sealed together by our new thin film adhesive. In 2013, we left one of the early ABALONE Photosensor pro…
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The ABALONE Photosensor Technology (U.S. Patent 9064678 2015) has the capability of supplanting the expensive 80 year old Photomultiplier Tube (PMT) manufacture by providing a modern and cost effective alternative product. An ABALONE Photosensor comprises only three monolithic glass components, sealed together by our new thin film adhesive. In 2013, we left one of the early ABALONE Photosensor prototypes intact for continuous stress testing, and here we report its long term vacuum integrity. The exceptionally low ion afterpulsing rate (approximately two orders of magnitude lower than in PMTs) has been constantly improving. We explain the physical and technological reasons for this achievement. Due to the cost-effectiveness and the specific combination of features, including low level of radioactivity, integration into large-area panels, and robustness, this technology can open new horizons in the fields of fundamental physics, functional medical imaging, and nuclear security.
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Submitted 26 May, 2017; v1 submitted 13 March, 2017;
originally announced March 2017.